methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate

C19H23NO3 — CID 54411286

IUPACmethyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(CCNC[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3/c1-23-19(22)13-16-9-7-15(8-10-16)11-12-20-14-18(21)17-5-3-2-4-6-17/h2-10,18,20-21H,11-14H2,1H3/t18-/m0/s1
InChIKeyVUIGHJVPYHMXBG-SFHVURJKSA-N
MW313.40 g/mol
LogP2.27
Rot. Bonds8

About methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate

methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate (PubChem CID 54411286) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate
PubChem CID54411286
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Namemethyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(CCNC[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3/c1-23-19(22)13-16-9-7-15(8-10-16)11-12-20-14-18(21)17-5-3-2-4-6-17/h2-10,18,20-21H,11-14H2,1H3/t18-/m0/s1
InChIKeyVUIGHJVPYHMXBG-SFHVURJKSA-N
XLogP2.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate with MolForge

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Related Compounds

(2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid
CID 67001965
ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol
CID 144821977
methyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate
CID 82886709
dimethyl (E)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]anilino]but-2-enedioate
CID 168566177
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propoxy]phenyl]acetate
CID 22873127
(1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol
CID 7319732
4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-propylbenzoic acid
CID 69058630
methyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate
CID 10826221
2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]acetic acid chloride
CID 71297113
methyl 2-[4-[(3-phenylpropylamino)methyl]phenyl]acetate
CID 66774988
CID 172801156
CID 172801156

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate (CID 54411286) is methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate is COC(=O)Cc1ccc(CCNC[C@H](O)c2ccccc2)cc1.
What is the InChIKey of methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate?
The InChIKey is VUIGHJVPYHMXBG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO3/c1-23-19(22)13-16-9-7-15(8-10-16)11-12-20-14-18(21)17-5-3-2-4-6-17/h2-10,18,20-21H,11-14H2,1H3/t18-/m0/s1.
What are the key properties of methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate?
methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate has a molecular weight of 313.40 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate is sourced from PubChem (CID 54411286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).